SCHEMBL11259854

SCHEMBL11259854

CCOC(=O)c1c2sc(NC(=O)CN(CC)CC)nc2c(Cl)c2nc(NC(=O)CN(CC)CC)sc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.52
▸ NPSR1 Q6W5P4 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ATM Q13315 2/20 0.47
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 10/20 0.43
▸ HPGD P15428 6/20 0.43
▸ HTT P42858 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPC1 O15118 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11262084 0.91 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1LMNATSHRATM
SCHEMBL11261115 0.85 MAPT (0.51) SMN1; SMN2LMNATSHRMAPTALDH1A1
SCHEMBL11266789 0.82 MAPT (0.46) SMN1; SMN2NPSR1LMNATSHRKDM4E
SCHEMBL11271738 0.82 MAPT (0.48) SMN1; SMN2NPSR1LMNATSHRMAPT
SCHEMBL11253904 0.81 MAPT (0.49) SMN1; SMN2LMNATSHRKDM4EMAPT
SCHEMBL11253932 0.80 MAPT (0.46) SMN1; SMN2NPSR1LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL11262657 0.79 MAPT (0.46) SMN1; SMN2NPSR1LMNATSHRKDM4E
SCHEMBL11259852 0.79 ALDH1A1 (0.46) SMN1; SMN2NPSR1LMNAKDM4EMAPT
SCHEMBL11261511 0.79 MAPT (0.46) SMN1; SMN2LMNATSHRMAPTALDH1A1
SCHEMBL11262352 0.78 MAPT (0.49) SMN1; SMN2NPSR1LMNATSHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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